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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-5-[(methylanilino)methyl]-1H-1,2,3-triazole-4-carbohydrazide

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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-5-[(methylanilino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID CnVfnPmAm8
InChI InChI=1S/C22H23N9O4/c1-30(15-7-5-4-6-8-15)13-17-19(25-29-31(17)21-20(23)27-35-28-21)22(32)26-24-12-14-11-16(33-2)9-10-18(14)34-3/h4-12H,13H2,1-3H3,(H2,23,27)(H,26,32)/b24-12+
InChIKey SLYUWMVSURWUSW-WYMPLXKRSA-N
Mol Weight 477.49 g/mol
Molecular Formula C22H23N9O4
Exact Mass 477.1873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9mLGKi9R5s
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-5-[(methylanilino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.187300253 u
Formula C22H23N9O4
InChI InChI=1S/C22H23N9O4/c1-30(15-7-5-4-6-8-15)13-17-19(25-29-31(17)21-20(23)27-35-28-21)22(32)26-24-12-14-11-16(33-2)9-10-18(14)34-3/h4-12H,13H2,1-3H3,(H2,23,27)(H,26,32)/b24-12+
InChIKey SLYUWMVSURWUSW-WYMPLXKRSA-N
Molecular Weight 477.485 g/mol
SMILES NC=1C(N2C(=C(C(N\N=C\C3=C(C=CC(=C3)OC)OC)=O)N=N2)CN(C=2C=CC=CC2)C)=NON1